siroheme amide
Chemical Formula:
C42H38N5O15FE
Molecular Weight:
908.634 Daltons
Monoisotopic Mass:
915.2261579020001 Daltons
SMILES:
CC2(CC(=O)N)(C(CCC(=O)[O-])C8(N3([Fe--]46([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C23)=CC5(=C(CCC(=O)[O-])C(CC([O-])=O)=C(N45)C=C7(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C(=[N+]67)C=8)))))))
InChI:
1S/C42H47N5O15.Fe/c1-41(17-33(43)48)24(6-10-37(55)56)30-16-32-42(2,18-40(61)62)23(5-9-36(53)54)29(46-32)14-27-21(11-38(57)58)19(3-7-34(49)50)25(44-27)13-26-20(4-8-35(51)52)22(12-39(59)60)28(45-26)15-31(41)47-30;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H11,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-9/t23-,24-,41+,42+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-7903
PubChem (CID):
91820495
Seed:
cpd24958
MetaNetX:
MNXM21765